2-acetamido-4-methyl-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: 2-acetamido-4-methyl-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: 2-acetamido-4-methyl-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: 2-acetamido-4-methylpentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: 2-acetamido-4-methylpentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 2-acetamido-4-methyl-valeric acid; 3-(3,4-dimethoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionamide Formula: C27H35N3O7 MolecularWeight: 513.5827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C.COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C.COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C19H20N2O4.C8H15NO3/c1-24-16-8-7-12(9-17(16)25-2)15(10-18(20)22)21-11-13-5-3-4-6-14(13)19(21)23;1-5(2)4-7(8(11)12)9-6(3)10/h3-9,15H,10-11H2,1-2H3,(H2,20,22);5,7H,4H2,1-3H3,(H,9,10)(H,11,12)